ENERGY BARRIER BETWEEN SELFTRAPPED AND DELOCALIZED EXCITON STATES IN QUASI ONE-DIMENSIONAL TETRACYANOPLATINATES ( I I)

1985 ◽  
Vol 46 (C7) ◽  
pp. C7-129-C7-133 ◽  
Author(s):  
G. Gliemann ◽  
W. Holzapfel ◽  
H. Yersin

In order to calculate the permeability of an energy barrier to a particle of mass m and energy W it is necessary to solve the Schrödinger equation for the potential energy function V ( x ) representing the barrier. An exact solution has only been obtained for one type of barrier represented by a continuous curve (which we shall call the Eckart barrier), and in this case the resulting expression for the permeability is an inconvenient one for application to problems of reaction velocity. Most treatments of this subject have therefore been based on the following approximate method. If the wave function is written in the form Ψ( x ) = e 8 ( x ) , the one-dimensional Schrödinger equation becomes d 2 s / dx 2 + ( ds / dx ) 2 + 8π 2 m / h 2 {W - V( x )} = 0. (1) This equation can be solved approximately provided that the first term is small compared with the second, i.e. , if | d 2 s / dx 2 / ( ds / dx ) 2 | ≪ 1.


1992 ◽  
Vol 293 ◽  
Author(s):  
M. Balkanski ◽  
I. Nachev ◽  
J. Deppe ◽  
R. F. Wallis

AbstractIon diffusion across material interfaces is considered in a sequence of approximations with increasing complexity. First, the one-dimensional lattice gas model of particle diffusion is generalized to include a finite width interface region, and the possible existence of an energy barrier at the interface. Overvoltage measurements on InSe, and dielectric loss measurements on B2O3 - 0.5Li20 - 0.15Li2SO4 are used to determine the field-free hopping rates in the two materials. It is shown that the energy barrier is a dominant parameter. This model is then modified by considering the disorder of the glass structure and the blocking effect resulting from the ion interaction. Next, a more rigorous treatment is presented by solving the Poisson equation with appropriate boundatry conditions, and a self-consistent theory of the ionic diffusion is proposed. To clarify this problem, an intermediate step and two additional models with increasing sophistication are considered: first, the potential φ(x) of the moving charge density n(x) is calculated and it is shown that φ(x) is not negligible. Then, a feed-back is provided by including this potential in the diffusion equation. This treatment is already self-consistent and more realistic but leads to long computations even for the simple one dimensional lattice-gas model. A remedy of this difficulty is proposed whereby the theory is reformulated in order to guarantee from the beginning the self-consistency of the solution of the non-linear diffusion problem. Straightforward extensions to the two-dimensional case are then possible. The results of the computations are illustrated with numerical examples for different values of the physical parameters.


2018 ◽  
Vol 71 (7) ◽  
pp. 527
Author(s):  
Yufeng Jia ◽  
Hongfeng Li ◽  
Peng Chen ◽  
Ting Gao ◽  
Wenbin Sun ◽  
...  

A series of lanthanide-based self-assembling complexes constructed from Schiff base and β-diketonate ligands have been synthesised by the same method. They are one dimensional complexes ({[Ln(H2L)(tta)2(OAc)]·0.5H2O}n (Ln = Eu (1), Gd (2), Dy (3), Yb (4)); H2L = N,N′-bis(salicylidene)butane-1,4-diamine, tta = 2-thenoyltrifluoroacetone). Complexes 1 and 4 exhibit characteristic metal-centred emission in the solid state. The lifetimes and quantum yields of luminescence were also determined. Magnetic analysis reveals that complex 3 exhibits field-induced single-molecule magnet (SMM) behaviour with an energy barrier of 24.07 K.


1993 ◽  
Vol 328 ◽  
Author(s):  
R. Tubino ◽  
C. Botta ◽  
S. Destri ◽  
W. Porzio ◽  
L. Rossi

ABSTRACTWe report in this short paper a preliminary account on the design, preparation, optical characterization and photoexcitation of a class of novel conjugated polymers consisting of regularly alternating thiophene and benzene sequences, which Might represent Models for one-dimensional superlattices. Optical absorption and emission spectra suggest that the barriers produced by the phenylene Moieties do not interrupt the conjugation but can produce localization effects. Resonant Raman spectra indicate that a selective response of the thiophene Moiety occurs upon excitation with visible light. Moreover these Measurements confirm the presence of a confinement on the thiophene blocks, while the biphenil Moiety does not appear to feel the energy barrier and behaves as the corresponding polymer poly (paraphenylene) (PPP). CW photomodulation spectra show that the formation of long-lived bipolarons takes place only if the thienylenic Moiety is long enough to accomodate the lattice distortion.


2018 ◽  
Vol 42 (12) ◽  
pp. 9612-9619 ◽  
Author(s):  
Xiangyu Liu ◽  
Xiufang Ma ◽  
Peipei Cen ◽  
Fengqing An ◽  
Zheng Wang ◽  
...  

Single-ion-magnet-type field-induced double magnetic relaxation was observed in a one-dimensional cobalt(ii) coordination polymer which shows easy-axis anisotropy with D = −33.9 cm−1 and an energy barrier of Ueff = 38.8 K.


2016 ◽  
Vol 2016 ◽  
pp. 1-8 ◽  
Author(s):  
Chen-chuan Tan ◽  
Zhi-hai Jia ◽  
Hui-nan Yang ◽  
Tai-min Cai

The dynamic characteristics of contact lines on inclined micropillared surfaces were investigated in this paper. It was observed that the contact lines varied gradually to a ladder shape with the droplet sliding on micropillared surfaces under Wenzel state. The dynamic deformation of contact lines would be more obvious under Wenzel state and Cassie impregnating state; however it is negligible when the droplet is in one-dimensional scenario. Droplet layers formed during droplet sliding were left behind and evaporated quickly and disappeared. Based on these characteristics, the comparison of experimental data with theoretical models was discussed. It was found that energy barrier played an important role in analyzing wetting characteristics. Because of ignoring the role of energy barrier, the model of sliding angle cannot predict the sliding angle on micropillared surfaces very well, especially when the area fraction is small. This work is helpful to propose a more accuracy sliding angle model.


2017 ◽  
Vol 4 (7) ◽  
pp. 1149-1156 ◽  
Author(s):  
Rui-Ping Li ◽  
Qing-Yan Liu ◽  
Yu-Ling Wang ◽  
Cai-Ming Liu ◽  
Sui-Jun Liu

Structural evolution from Dy4 clusters into 1D Dy(iii)-chains, the anisotropy energy barrier is enhanced from 45.4(2) to 144.2(1) K.


Author(s):  
Joel C. Forster ◽  
Johannes Krausser ◽  
Manish R. Vuyyuru ◽  
Buzz Baum ◽  
Anđela Šarić

In this paper we combine the rules of natural evolution with molecular dynamics simulations to design a nanostructure with a desired function. We apply this scheme to the case of a ligand-covered nanoparticle and evolve ligand patterns that promote efficient cell uptake. Surprisingly, we find that in the regime of low ligand number the fittest structures are characterised by ligands arranged into long one-dimensional chains that pattern the surface of the particle. We show that these chains of ligands provide particles with high rotational freedom and they lower the free energy barrier for membrane crossing. This demonstrates the efficacy of artificial evolution to identify non-intuitive design rules and reveals a new principle of design that can be used to inform artificial nanoparticle construction and the search for inhibitors of viral entry.


1993 ◽  
Vol 73 (10) ◽  
pp. 6829-6831 ◽  
Author(s):  
James A. Jatau ◽  
Edward Della Torre

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